![CAS 885461-50-7 7-chloro-5-Methyl-2-(trifluoroMethyl)-[1,2,4]triazolo[1,5-a]pyriMidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/885461-50-7.gif)
CAS RN: 885461-50-7
7-chloro-5-Methyl-2-(trifluoroMethyl)-[1,2,4]triazolo[1,5-a]pyriMidine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250702 | 250mg | In stock | Shanghai | Inquiry |
- Product code: SSC-199472
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
885461-50-7 / 7-chloro-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
Basic Information
CAS
885461-50-7
Multi CAS
No
Molecular Formula
C7H4CLF3N4
Molecular Weight
236.580000
Exact Mass
236.007658
InChI
InChI=1S/C7H4ClF3N4/c1-3-2-4(8)15-6(12-3)13-5(14-15)7(9,10)11/h2H,1H3
InChIKey
ZPRYBESGXFDOSK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.29
H-bond acceptors
4
Molar refractivity
45.53
TPSA
43.08
LogP / Solubility
WLOGP
2.1
MLOGP
1.86
XLogP3
2.4
Consensus LogP
2.12
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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